CID 3071621

4-cyclohexene-1,2-diol, 3,6-di-4-morpholinyl-, dihydrochloride, (1-alpha,2-beta,3-alpha,6-beta)-

Structural Information

Molecular Formula
C14H24N2O4
SMILES
C1COCCN1[C@@H]2C=C[C@H]([C@@H]([C@H]2O)O)N3CCOCC3
InChI
InChI=1S/C14H24N2O4/c17-13-11(15-3-7-19-8-4-15)1-2-12(14(13)18)16-5-9-20-10-6-16/h1-2,11-14,17-18H,3-10H2/t11-,12-,13+,14+/m1/s1
InChIKey
RSDGBOQGFWOCNV-MQYQWHSLSA-N
Compound name
(1S,2S,3R,6R)-3,6-dimorpholin-4-ylcyclohex-4-ene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1736 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.18088 169.8
[M+Na]+ 307.16282 171.3
[M-H]- 283.16632 173.4
[M+NH4]+ 302.20742 177.7
[M+K]+ 323.13676 170.4
[M+H-H2O]+ 267.17086 159.9
[M+HCOO]- 329.17180 177.1
[M+CH3COO]- 343.18745 177.1
[M+Na-2H]- 305.14827 170.3
[M]+ 284.17305 160.4
[M]- 284.17415 160.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.